Choline
Properties
- Molecular formula
- C5H14NO+
- Molar mass
- 104.17 g/mol
- Exact mass
- 104.1075 Da
- Melting point
- 232–233 °C (decomposes)
- Boiling point
- 155–230 °C
- logP
- -0.32Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor70.5% of notifiers
- H314 Causes severe skin burns and eye damage98.7% of notifiers
- H318 Causes serious eye damage70.5% of notifiers
- H360FD May damage fertility; May damage the unborn child69.8% of notifiers
- H370 Causes damage to organs70.5% of notifiers
Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
62-49-7SMILES
C[N+](C)(C)CCOInChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-NInChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-
- 2-Hydroxy-N,N,N-trimethylethanaminium
- Bilineurine
- (2-Hydroxyethyl)trimethylammonium
- Choline ion
- Choline cation
- Nanoveson C
- Vitamin J
Work with Choline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Choline chloride67-48-1Salt
Choline hydroxide123-41-1Salt
Choline bitartrate87-67-2Salt
Oxtriphylline4499-40-5Salt
Choline dihydrogen citrate77-91-8Salt
Ferrocholinate1336-80-7Salt
Choline bicarbonate78-73-9Salt
Choline iodide17773-10-3Salt
Choline p-toluenesulfonate55357-38-5Salt
Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-6Salt
Choline fenofibrate856676-23-8Salt
Similar compounds
Polyquaternium 175345-27-638 % similar
Decamethylenebis(trimethylammonium) iodide1420-40-238 % similar
Decamethonium bromide541-22-038 % similar
Hexamethonium bromide55-97-038 % similar
Trimethylpropylammonium bromide2650-50-236 % similar
(2-Bromoethyl)trimethylammonium bromide2758-06-735 % similar
Chlormequat chloride999-81-535 % similar
Ethylene glycol107-21-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.